Compound Detail
CHEMBL4483083
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1.[Br-]
Basic Information
| ChEMBL ID | CHEMBL4483083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVJQAZLKFFFUBU-GSEXTUOBSA-M |
| Parent Compound | CHEMBL4597500 |
| Active Moiety | CHEMBL4597500 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
4.71
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 0.4 | nM | 9.4 | Displacement of [3H]NMS from human M3R expressed in CHOK1 cell membranes incubat... | 31204225 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]NMS from human M2R expressed in CHOK1 cell membranes incubat... | 31204225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31204225 | 10.1016/j.bmc.2019.06.016 | Mus musculus | 13 |
| 31204225 | 10.1016/j.bmc.2019.06.016 | Muscarinic acetylcholine receptor M3 | 1 |
| 31204225 | 10.1016/j.bmc.2019.06.016 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine